Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL037592
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc[nH+]c1)/[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H32N2O5 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O5/c1-22(2)21-40-27-14-15-29(23(3)17-27)32(37)30-31(36(34(39)33(30)38)20-24-9-8-16-35-19-24)25-10-7-13-28(18-25)41-26-11-5-4-6-12-26/h4-19,22,31,37H,20-21H2,1-3H3/b32-30+InChIKey
KWYJJXAZTXCALJ-NHQGMKOOSA-NSynonyms
488861-28-5(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(3PHENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(3PHENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(45dioxo2(3phenoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
488861285
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)(O)
InChI=1SC34H32N2O5c122(2)214027141529(23(3)1727)32(37)3031(36(34(39)33(30)38)20249816351924)251071328(1825)4126115461226h419223137H2021H213H3b3230+
MFCD18247454
ZINC000102169213
ZINC000102169218
Check stock
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Check stock on Vitas-MAvailable files
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